General Information of the Compound
| Compound ID |
CP0857175
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| Compound Name |
MOTILIN_070
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| Structure |
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| Formula |
C27H37FN4O
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| Molecular Weight |
452.618
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| Canonical SMILES |
CC(C(=O)N1CCC(Nc2cccc(F)c2)CC1)c1ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc1
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| InChI |
InChI=1S/C27H37FN4O/c1-19-16-31(17-20(2)29-19)18-22-7-9-23(10-8-22)21(3)27(33)32-13-11-25(12-14-32)30-26-6-4-5-24(28)15-26/h4-10,15,19-21,25,29-30H,11-14,16-18H2,1-3H3/t19-,20+,21?
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| InChIKey |
HQMIOCCKYFLZIK-WCRBZPEASA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound